ACETIC ACID, ((6-NITRO-2-BENZOTHIAZOLYL)AMINO)OXO-, METHYL ESTER
methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
| Molecular Formula | C10H7N3O5S |
|---|---|
| Molecular Weight | 281.25 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 142.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.01065 |
| Heavy Atoms | 19 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 104388-87-6 |
|---|---|
| SMILES | COC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | OMGXXYXKRYICJM-UHFFFAOYSA-N |
📖 Product Overview
ACETIC ACID, ((6-NITRO-2-BENZOTHIAZOLYL)AMINO)OXO-, METHYL ESTER (CAS: 104388-87-6) is a chemical compound with molecular formula C10H7N3O5S and molecular weight 281.25 g/mol. Its IUPAC systematic name is methyl 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoacetate.
OMGXXYXKRYICJM-UHFFFAOYSA-N.
SMILES: COC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-].
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